BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

taurocholate
Synonyms
Definitions

A bile acid taurine conjugate that has formula C26H44NO7S.

ID

http://purl.obolibrary.org/obo/CHEBI_36257

alternative term

InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

InChIKey=WBWWGRHZICKQGZ-HZAMXZRMSA-M

2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate

C26H44NO7S

[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

definition

A bile acid taurine conjugate that has formula C26H44NO7S.

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_28865

label

taurocholate

prefixIRI

CHEBI:36257

prefLabel

taurocholate

subClassOf

http://purl.obolibrary.org/obo/CHEBI_23219

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